Krishnan, SH and Ayappa, KG (2012) Glassy dynamics in a confined monatomic fluid. In: PHYSICAL REVIEW E, 86 (1, Par).
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Molecular dynamic simulations of a strongly inhomogeneous system reveals that a single-component soft-sphere fluid can behave as a fragile glass former due to confinement. The self-intermediate scattering function, F-s(k,t), of a Lennard-Jones fluid confined in slit-shaped pores, which can accomodate two to four fluid layers, exhibits a two-step relaxation at moderate temperatures. The mean-squared displacement data are found to follow time-temperature superposition and both the self-diffusivity and late a relaxation times exhibit power-law divergences as the fluid is cooled. The system possesses a crossover temperature and follows the scalings of mode coupling theory for the glass transition. The temperature dependence of the self-diffusivity can be expressed using the Vogel-Fulcher-Tammann equation, and estimates of the fragility index of the system indicates a fragile glass former. At lower temperatures, signatures of additional relaxation processes are observed in the various dynamical quantities with a three-step relaxation observed in the F-s(k,t).
|Item Type:||Journal Article|
|Additional Information:||Copy right for this article belongs to American Physical Society|
|Department/Centre:||Division of Mechanical Sciences > Chemical Engineering|
|Date Deposited:||21 Aug 2012 03:53|
|Last Modified:||21 Aug 2012 03:53|
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